citronellyl isobutyrate (CAS 97-89-2) — formula C14H26O2, molecular weight 226.19 g/mol; category organic chemicals.
| CAS Number | 97-89-2 |
|---|---|
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.19 g/mol |
| Boiling Point | 249.00 °C. @ 760.00 mm Hg |
| LogP | 4.8 |
| Category | Organic Chemicals |
citronellyl isobutyrate is a carbon-based organic compound with CAS registry number 97-89-2 and molecular formula C14H26O2 (molecular weight 226.19 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97-89-2
Its molecular formula C14H26O2 comprises 14 C, 26 H, 2 O atoms.
Also known as: citronellyl isobutyrate · 异丁酸香茅酯 · 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE
Category: organic chemicals
The CAS registry number of citronellyl isobutyrate is 97-89-2.
Molecular formula C14H26O2, molecular weight 226.19 g/mol.
It is also registered under: citronellyl isobutyrate, 异丁酸香茅酯, 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE.
Category: Organic Chemicals.
Independent reference data for citronellyl isobutyrate (CAS 97-89-2), compiled from public chemistry databases.
| CAS 号 | 97-89-2 |
|---|---|
| PubChem CID | 60985 |
| 分子式 | C14H26O2 |
| 分子量 | 226.19 g/mol |
| IUPAC 名称 | 3,7-dimethyloct-6-enyl 2-methylpropanoate |
| InChIKey | ZGPPERKMXSGYRK-UHFFFAOYSA-N |
| UNII（FDA） | 5RZR3JKW1P |
| ChEBI 编号 | CHEBI:171867 |
| FEMA 编号 | 2313 |
| JECFA 编号 | 71 |
| Molecular Weight | 226.35 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 226.193280068 |
| Monoisotopic Mass | 226.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 249.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 249 °C |
| Density | 0.870-0.880 |
| Refractive Index | 1.440-1.448 |
Citronellyl isobutyrate; 97-89-2; PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER; FEMA No. 2313; 3,7-Dimethyloct-6-enyl isobutyrate; 3,7-dimethyloct-6-en-1-yl 2-methylpropanoate; 3,7-dimethyloct-6-enyl 2-methylpropanoate; 3,7-Dimethyl-6-octen-1-yl isobutyrate; Isobutyric acid, 3,7-dimethyl-6-octenyl ester; 5RZR3JKW1P; DTXSID7052652; Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester; Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl; NSC-46148; DTXCID4031225; RefChem:126598
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 99.9% (1633 / 1634) |
| GHS 通报统计 | 99.9% (1633 / 1634) |
|---|
异丁酸香茅酯 的 CAS 号为 97-89-2，分子式 C14H26O2，分子量 226.19 g/mol。 UNII 5RZR3JKW1P; ChEBI 171867; InChIKey ZGPPERKMXSGYRK-UHFFFAOYSA-N. Boiling Point: 249.00 °C. @ 760.00 mm Hg; Boiling Point: 249 °C; Density: 0.870-0.880.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸香茅酯